(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C24H18ClNO4 — CID 11560793

IUPAC(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4)c3)C2)c2ccccc21
InChIInChI=1S/C24H18ClNO4/c25-17-8-10-18(11-9-17)29-19-5-3-4-16(14-19)22(27)26-13-12-24(15-26)21-7-2-1-6-20(21)23(28)30-24/h1-11,14H,12-13,15H2/t24-/m0/s1
InChIKeyAURQDFLWSGQOHX-DEOSSOPVSA-N
MW419.86 g/mol
LogP5.04
Rot. Bonds3

About (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 11560793) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID11560793
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4)c3)C2)c2ccccc21
InChIInChI=1S/C24H18ClNO4/c25-17-8-10-18(11-9-17)29-19-5-3-4-16(14-19)22(27)26-13-12-24(15-26)21-7-2-1-6-20(21)23(28)30-24/h1-11,14H,12-13,15H2/t24-/m0/s1
InChIKeyAURQDFLWSGQOHX-DEOSSOPVSA-N
XLogP5.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 72996845
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-[1-(4-chlorophenyl)cyclobutanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662217
1'-[2-(4-chlorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618501
(3R)-1'-[1-(4-chlorophenyl)sulfanylcyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 68962861
(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 90853215
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734202
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
6-chloro-7-methyl-1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735196
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 11560793) is (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4)c3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is AURQDFLWSGQOHX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18ClNO4/c25-17-8-10-18(11-9-17)29-19-5-3-4-16(14-19)22(27)26-13-12-24(15-26)21-7-2-1-6-20(21)23(28)30-24/h1-11,14H,12-13,15H2/t24-/m0/s1.
What are the key properties of (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 419.86 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 11560793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).